{1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}methyl acetate
AlkaPlorer ID: AK254710
Synonym: None
IUPAC Name: [1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]methyl acetate
Structure
SMILES: CC(=O)OCC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CC=CC=C12
InChI: InChI=1S/C17H21NO7/c1-9(20)24-8-10-6-18(12-5-3-2-4-11(10)12)17-16(23)15(22)14(21)13(7-19)25-17/h2-6,13-17,19,21-23H,7-8H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey: NJQVDSROTARDQG-NQNKBUKLSA-N
Reference
Constituents from Chimonanthus praecox (wintersweet)
PubChem CID: 162866801
LOTUS: LTS0207738
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimonanthus praecox | Chimonanthus | Calycanthaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.3550000000001
TPSA？: 121.38
MolLogP？: -0.3232000000000004
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|